trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine

C15H21N5S — CID 98775328

IUPACtrans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine
SMILESCS[C@@H]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C15H21N5S/c1-19(13-8-9-14(10-13)21-2)11-15-16-17-18-20(15)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyNAIKIFJXBFJPGC-ZIAGYGMSSA-N
MW303.43 g/mol
LogP2.38
Rot. Bonds5

About trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine

trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 98775328) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID98775328
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Nametrans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine
SMILESCS[C@@H]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C15H21N5S/c1-19(13-8-9-14(10-13)21-2)11-15-16-17-18-20(15)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyNAIKIFJXBFJPGC-ZIAGYGMSSA-N
XLogP2.38
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 62977216
N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 26625051
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine
CID 99106844
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
3-[5-[[cyclohexyl(methyl)amino]methyl]tetrazol-1-yl]benzonitrile
CID 175996234
4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide
CID 46567940
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 99106803
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 21295331
N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine
CID 112844003

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine (CID 98775328) is trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine is CS[C@@H]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2)C1.
What is the InChIKey of trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is NAIKIFJXBFJPGC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N5S/c1-19(13-8-9-14(10-13)21-2)11-15-16-17-18-20(15)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine?
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 303.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 98775328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).